Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | AHR | P35869 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL747175 | 1.00 | ALDH1A1 (0.43) | ALDH1A1AHRLMNAHTTSMN1; SMN2 | |
| SCHEMBL12615184 | 0.84 | SLC6A2 (0.40) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A3 | |
| SCHEMBL26968200 | 0.84 | S1PR1 (0.33) | ALDH1A1 | |
| SCHEMBL3973135 | 0.82 | PSEN1 (0.35) | ALDH1A1SLC6A3SLC6A2SLC6A4KCNH2 | |
| SCHEMBL4621988 | 0.82 | S1PR1 (0.38) | ALDH1A1SMN1; SMN2MAPK1SLC6A3 | |
| SCHEMBL20722071 | 0.82 | PSEN1 (0.35) | ALDH1A1SLC6A3SLC6A2SLC6A4KCNH2 | |
| SCHEMBL1701138 | 0.82 | MDM2 (0.40) | ALDH1A1HTTSLC6A3SLC6A2SLC6A4 | |
| SCHEMBL2550930 | 0.78 | ALDH1A1 (0.46) | ALDH1A1AHRLMNAHTTSMN1; SMN2 | |
| SCHEMBL20551343 | 0.78 | KDR (0.41) | IDO1SLC6A3 | |
| SCHEMBL1726228 | 0.78 | KDR (0.41) | IDO1SLC6A3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3997096-A1 | NEW HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2022-05-18 | — | — | EP | disclosed |
| WO-2021005034-A1 | NEW HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2021-01-14 | — | — | WO | disclosed |
| WO-2019201867-A1 | SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES | MASARYKOVA UNIVERZITA (CZ) | 2019-10-24 | — | — | WO | disclosed |